Author
Ko-ichi Sugawara
Bio: Ko-ichi Sugawara is an academic researcher from National Chemical Laboratory. The author has contributed to research in topics: Infrared & Infrared spectroscopy. The author has an hindex of 15, co-authored 36 publications receiving 573 citations.
Papers
More filters
TL;DR: In this paper, the infrared spectra of the NH2 stretching modes of anilinen (n = 1, 2) clusters and corresponding cluster cations in a supersonic jet have been observed using an IR-REMPI double resonance technique.
85 citations
TL;DR: In this article, a configuration with mutual NH2−π bonds and phenyl groups stacked in parallel is suggested for ground-state aniline dimers, formed in a supersonic jet, by combining infrared laser excitation and resonant two-photon ionization/time-of-flight mass spectrometry.
Abstract: The infrared depletion spectrum of the aniline dimer, formed in a supersonic jet, has been recorded in the N−H stretch region by combining infrared laser excitation and resonant two-photon ionization/time-of-flight mass spectrometry. Only two bands have been found at 3394.0 and 3465.9 cm-1 (±0.5 cm-1) in the region 3130−3530 cm-1. These are red-shifted by 27.8 and 42.3 cm-1 from the symmetric and asymmetric NH stretching vibrations of the aniline monomer, respectively. A configuration with mutual NH2···π bonds and phenyl groups stacked in parallel is suggested for the ground-state aniline dimer.
68 citations
TL;DR: In this article, the vibrational spectra of aniline-NH 3 and NH 3 + clusters in the NH stretching vibration region have been measured using infrared depletion spectroscopic techniques combined with mass spectrometry.
39 citations
TL;DR: In this article, the NH 2 -stretching vibrational modes of four different aniline-X clusters (X = N 2, CH 4, CHF 3, CO) and their corresponding cluster cations were investigated by ion-depletion spectroscopy.
38 citations
TL;DR: In this paper, the rate constants for the reactions SiH3+O2, SiH 3+NO2 and Si H3+NO+N2 have been measured over the pressure range 1-10 Torr at 300 K, by monitoring a siH3 absorption line at 719.931 cm−1 using time-resolved diode laser spectroscopy.
35 citations
Cited by
More filters
949 citations
TL;DR: In this paper, the authors used both pure DFT and a hybrid approach in which the total interaction energy is partitioned into two parts: (a) the dispersion energy which, in a first approximation is the contribution due to intermonomer correlations and (b) all other interactions.
Abstract: While the attempts currently in progress in several groups for the rigorous inclusion of dispersion interactions in density functional theory (DFT) calculations mature and evolve into practical methodology, we contribute to the debate on the applicability of current functionals to the calculation of weak interaction with a systematic investigation of a few, typical, weakly bound systems. We have used both pure DFT and a hybrid approach in which the total interaction energy is partitioned into two parts: (a) the dispersion energy which, in a first approximation is the contribution due to intermonomer correlations and (b) all other interactions. The first component is accurately obtained at all distances of interest by means of a well-known damped multipolar expansion of the dispersion energy while for the second component different approximations will be evaluated. The need to avoid double counting a fraction of the correlation energy when using the hybrid approach and the choice of the appropriate functio...
599 citations
349 citations
283 citations
196 citations